N2-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2,4-dicarboxamide

Systemtic Name: N2-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2,4-dicarboxamide Openeye Name: N2-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2,4-dicarboxamide CAS Name: N2-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methylpyrrole-2,4-dicarboxamide IUPAC Name: 2-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2,4-dicarboxamide Traditional Name: N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2,4-dicarboxamide Formula: C22H27N9O4 MolecularWeight: 481.50768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)C(=O)N

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)C(=O)N

InChI

InChI=1S/C22H27N9O4/c1-29-9-12(19(25)32)6-15(29)21(34)27-14-8-17(31(3)11-14)22(35)28-13-7-16(30(2)10-13)20(33)26-5-4-18(23)24/h6-11H,4-5H2,1-3H3,(H3,23,24)(H2,25,32)(H,26,33)(H,27,34)(H,28,35)